dimethyl benzene-1,3-dicarboxylate; 2,3-dimethylterephthalic acid; ethane-1,2-diol

Systemtic Name: dimethyl benzene-1,3-dicarboxylate; 2,3-dimethylterephthalic acid; ethane-1,2-diol Openeye Name: dimethyl benzene-1,3-dicarboxylate; 2,3-dimethylterephthalic acid; ethylene glycol CAS Name: benzene-1,3-dicarboxylic acid dimethyl ester; 2,3-dimethylterephthalic acid; ethane-1,2-diol IUPAC Name: dimethyl benzene-1,3-dicarboxylate; 2,3-dimethylterephthalic acid; ethane-1,2-diol Traditional Name: benzene-1,3-dicarboxylic acid dimethyl ester; 2,3-dimethylterephthalic acid; ethylene glycol Formula: C22H26O10 MolecularWeight: 450.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)C(=O)O)C(=O)O.COC(=O)C1=CC(=CC=C1)C(=O)OC.C(CO)O

Isomeric SMILES

CC1=C(C=CC(=C1C)C(=O)O)C(=O)O.COC(=O)C1=CC(=CC=C1)C(=O)OC.C(CO)O

InChI

InChI=1S/2C10H10O4.C2H6O2/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2;1-5-6(2)8(10(13)14)4-3-7(5)9(11)12;3-1-2-4/h3-6H,1-2H3;3-4H,1-2H3,(H,11,12)(H,13,14);3-4H,1-2H2